PRINT

From FEFF

Standard

PRINT ppot pxsph pfms ppaths pgenfmt pff2chi

The PRINT card determines which output files are printed by each module. See Section 4 for details about the contents of these files. The default is print level 0 for each module.

* add crit.dat and feffNNNN.dat files to minimum output
PRINT 0 0 0 1 0 3

Table 4.1: Print levels controlling output files from the modules. Log-files are not included. For EELS calculations, a proliferation of files may occur, eg. `xmu.dat' through `xmu09.dat' will be produced. NRIXS calculations not included in this table. rdinp not included.

Table 2.1: Print levels controlling output files from the modules.
module print levels
atomic 0 write `apot.bin' and `fpf0.dat'
pot 0 write ‘pot.bin’ only
1 add ‘misc.dat’
2 add ‘potNN.dat’
5 add ‘atomNN.dat’
screen 0 write `wscrn.dat' if COREHOLE RPA used
ldos 0 write `ldosNN.dat' if LDOS used
xsph 0 write ‘phase.bin’ and ‘xsect.bin’ only
1 add ‘axafs.dat’ and `phase.dat'
2 add ‘phaseNN.dat’ and ‘phminNN.dat’
3 add ‘ratio.dat’ (for XMCD normalization) and ‘emesh.dat’. Careful! xsph now takes a lot of time.
fms 0 write ‘gg.bin’
1 write `gg.dat'
mkgtr 0 write `fms.bin' and `gtr.dat'
path 0 write ‘paths.dat’ only
1 add ‘crit.dat’
3 add ‘fbeta’ files (plane wave | f(β) | approximations)
5 write only ‘crit.dat’ and do not write ‘paths.dat’. (This is useful when exploring the importance of paths for large runs.)
genfmt 0 write ‘list.dat’, and write ‘feff.bin’ with all paths with importance greater than or equal to two thirds of the curved wave importance criterion
1 write all paths to ‘feff.bin’
ff2x 0 write ‘chi.dat’ and ‘xmu.dat’
1 add ‘sig2.dat’ with Debye-Waller factors
2 add ‘chipNNNN.dat’ χ(k) from each path individually
3 add ‘feffNNNN.dat’ (input files for Matt Newville’s FEFFIT program)and ‘files.dat’, and do not add ‘chipNNNN.dat’ files.
sfconv 0 overwrites `xmu.dat'
eels 0 write `eels.dat'; write `magic.dat' if MAGIC card used
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